5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid

C13H13N3O4S — CID 107584508

IUPAC5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cncc(NS(=O)(=O)c2ccc(N)cc2C(=O)O)c1
InChIInChI=1S/C13H13N3O4S/c1-8-4-10(7-15-6-8)16-21(19,20)12-3-2-9(14)5-11(12)13(17)18/h2-7,16H,14H2,1H3,(H,17,18)
InChIKeyCTNTVQFURBPIHI-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.47
Rot. Bonds4

About 5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid

5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 107584508) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
PubChem CID107584508
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cncc(NS(=O)(=O)c2ccc(N)cc2C(=O)O)c1
InChIInChI=1S/C13H13N3O4S/c1-8-4-10(7-15-6-8)16-21(19,20)12-3-2-9(14)5-11(12)13(17)18/h2-7,16H,14H2,1H3,(H,17,18)
InChIKeyCTNTVQFURBPIHI-UHFFFAOYSA-N
XLogP1.47
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501
5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584553
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584612
5-amino-2-ethoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585840
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499
5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide
CID 107586461
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 107584635
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 107586582
4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585953

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid (CID 107584508) is 5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid is Cc1cncc(NS(=O)(=O)c2ccc(N)cc2C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is CTNTVQFURBPIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-8-4-10(7-15-6-8)16-21(19,20)12-3-2-9(14)5-11(12)13(17)18/h2-7,16H,14H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid has a molecular weight of 307.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 107584508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).